6-morpholin-4-yl-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid

Systemtic Name: 6-morpholin-4-yl-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Openeye Name: 6-morpholino-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid CAS Name: 6-(4-morpholinyl)-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]-4-hexynoic acid IUPAC Name: 6-morpholin-4-yl-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Traditional Name: 6-morpholino-2-[[4-(4-phenoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O6S/c31-28(32)27(8-4-5-17-30-18-20-35-21-19-30)29-37(33,34)26-15-11-23(12-16-26)22-9-13-25(14-10-22)36-24-6-2-1-3-7-24/h1-3,6-7,9-16,27,29H,8,17-21H2,(H,31,32)